SCHEMBL4721792

SCHEMBL4721792

CCOc1on[c]c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
HSD17B10 Q99714 4/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4724824 0.87 MAPT (0.34) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4722708 0.86 LTA4H (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5083217 0.84 SOAT1 (0.41) LTA4H
SCHEMBL4767264 0.81 TSHR (0.38) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4721791 0.73 ALDH1A1 (0.41) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL558587 0.71 BRD4 (0.42) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9266159 0.69 ALDH1A1 (0.46) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2090012 0.69 PTPN1 (0.35) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL221908 0.67 NPC1 (0.37) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL4764105 0.67 ADORA1 (0.42) KDM4EALDH1A1HPGDNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 KDM4E 2584/4885ALDH1A1 622/4885HPGD 800/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.